SCHEMBL5037593

SCHEMBL5037593

COCCOC1CCN(c2cc(C)nc3cc(OCc4ccccc4)ccc23)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.41
NCF1 P14598 2/20 0.41
CYP8B1 Q9UNU6 1/20 0.40
LIPG Q9Y5X9 2/20 0.40
LIPC P11150 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.38
KIT P10721 1/20 0.38
RPS6KB1 P23443 1/20 0.38
PARP14 Q460N5 1/20 0.38
ABL1 P00519 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5037590 1.00 CHRM4 (0.41) CHRM4NCF1CYP8B1LIPGLIPC
SCHEMBL5037545 0.95 CHRM4 (0.40) CHRM4NCF1CYP8B1LIPGKMT2A
SCHEMBL5037542 0.95 CHRM4 (0.40) CHRM4NCF1CYP8B1LIPGKMT2A
SCHEMBL5040526 0.90 NCF1 (0.44) CHRM4NCF1CYP8B1KMT2AMEN1
SCHEMBL5040485 0.90 NCF1 (0.44) CHRM4NCF1CYP8B1KMT2AMEN1
SCHEMBL5040488 0.90 NCF1 (0.44) CHRM4NCF1CYP8B1KMT2AMEN1
Hydrochloric Acid SCHEMBL5035823 0.89 CHRM4 (0.42) CHRM4NCF1CYP8B1KMT2AMEN1
Hydrochloric Acid SCHEMBL5035821 0.89 CHRM4 (0.42) CHRM4NCF1CYP8B1KMT2AMEN1
SCHEMBL5040535 0.89 PDE3B (0.40) CHRM4LIPGLIPCKMT2AMEN1
SCHEMBL6377286 0.89 PDE3B (0.40) CHRM4LIPGLIPCKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395564-B1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR HOFFMANN LA ROCHE (CH) 2008-02-27 EP disclosed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 US disclosed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 US disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020198194-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R CHRM4 2051/4885NCF1 1052/4885CYP8B1 2803/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R CHRM4 2051/4885NCF1 1052/4885CYP8B1 2803/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.